Information card for entry 1557999

Structure parameters

• Formula: C31 H37 Br N O2 Si
• Calculated formula: C31 H37 Br N O2 Si
• Title of publication: Ring-fused cyclobutanes via cycloisomerization of alkylidenecyclopropane acylsilanes
• Authors of publication: Eichenberger, Sarah; Hönig, Moritz; Richter, Matthieu J. R.; Gershoni-Poranne, Renana; Carreira, Erick M.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 5294 - 5298
• a: 19.002 ± 0.0001 Å
• b: 8.3505 ± 0.0001 Å
• c: 18.6504 ± 0.0001 Å
• α: 90°
• β: 106.546 ± 0.001°
• γ: 90°
• Cell volume: 2836.83 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No